%chk=000182585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182585

0 1
O 3.854676 2.304842 -0.473796
O 4.184933 -1.977309 1.091321
O -5.727492 -1.100504 -0.385450
O -6.126250 1.603669 0.555171
N 3.999834 0.158376 0.300321
N -2.255222 -0.396903 0.558428
C 6.762547 0.101532 -0.474939
C 7.292117 0.646771 0.876307
C 8.036035 -0.128031 -1.329096
C 8.716210 0.091183 1.043766
C 9.174510 -0.419019 -0.336663
C 5.807288 1.094425 -1.160130
C 6.007434 -1.227756 -0.274978
C 4.495882 1.275746 -0.438815
C 4.686094 -1.088241 0.434859
C 2.668984 0.299415 0.975550
C 1.541782 -0.204254 0.061852
C 0.185773 -0.080773 0.764603
C -0.946403 -0.591123 -0.141422
C -3.392542 -0.960077 -0.225646
C -4.689556 -0.367993 0.349306
C -4.828212 1.135041 0.094070
C -6.982781 -0.521415 -0.310854
C -7.177972 0.807422 0.132769
C -8.067371 -1.301875 -0.717372
C -8.461650 1.353899 0.194342
C -9.349974 -0.744450 -0.661497
C -9.545395 0.563024 -0.204144
H 6.643752 0.364524 1.721463
H 7.309614 1.751402 0.868761
H 8.271362 0.773905 -1.922325
H 7.911138 -0.944597 -2.056804
H 9.398157 0.868619 1.427808
H 8.734205 -0.725149 1.786664
H 9.394506 -1.499978 -0.298235
H 10.109428 0.072772 -0.653822
H 6.289437 2.091512 -1.269312
H 5.593694 0.771337 -2.202075
H 5.829667 -1.729682 -1.249869
H 6.645348 -1.940121 0.296523
H 2.693524 -0.282449 1.925778
H 2.515411 1.373186 1.233952
H 1.537433 0.374957 -0.882994
H 1.732777 -1.259293 -0.220160
H -0.010412 0.976569 1.039986
H 0.199113 -0.644444 1.717960
H -0.972623 0.001793 -1.083467
H -0.759975 -1.647973 -0.431141
H -2.223335 -0.842990 1.483239
H -3.295943 -0.679350 -1.298485
H -3.457423 -2.070894 -0.208214
H -4.838341 -0.610684 1.424178
H -4.122488 1.733520 0.701216
H -4.732057 1.396539 -0.973355
H -7.902836 -2.319287 -1.064161
H -8.598802 2.374282 0.545457
H -10.204528 -1.341498 -0.975352
H -10.551584 0.976450 -0.160080


%chk=000182585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182585

0 1
O 3.829966 2.211625 -0.921896
O 4.237058 -1.920476 1.191559
O -5.824767 -1.053089 -0.568030
O -6.160167 1.564502 0.700101
N 4.056090 0.167009 0.171974
N -2.255174 -0.405611 0.292840
C 6.873237 0.130629 -0.440365
C 7.323646 0.805296 0.890979
C 8.238220 -0.116801 -1.142319
C 8.618311 0.050435 1.313586
C 9.216326 -0.544394 -0.009015
C 5.928025 1.010349 -1.284071
C 6.136402 -1.205758 -0.172525
C 4.541478 1.198434 -0.679392
C 4.759091 -1.036090 0.457864
C 2.702953 0.340803 0.773207
C 1.584417 -0.212937 -0.134648
C 0.196192 -0.042790 0.519933
C -0.942118 -0.575640 -0.370946
C -3.416744 -0.865181 -0.497294
C -4.717075 -0.364614 0.144506
C -4.904842 1.152664 0.033484
C -7.101496 -0.508538 -0.289682
C -7.264204 0.756963 0.341931
C -8.234183 -1.264808 -0.653694
C -8.557705 1.237348 0.631197
C -9.528513 -0.774973 -0.374782
C -9.689901 0.471906 0.277868
H 6.544084 0.782566 1.674322
H 7.551771 1.870014 0.688921
H 8.579118 0.832245 -1.601357
H 8.168128 -0.865913 -1.953287
H 9.327738 0.728001 1.819987
H 8.383660 -0.757009 2.030703
H 9.282795 -1.645587 0.056325
H 10.238683 -0.175247 -0.202560
H 6.343386 2.020843 -1.444540
H 5.792426 0.561529 -2.290722
H 6.001403 -1.754541 -1.128016
H 6.707967 -1.872063 0.495393
H 2.706033 -0.193522 1.738012
H 2.555086 1.420784 0.940374
H 1.607247 0.320201 -1.104446
H 1.775815 -1.285297 -0.332578
H 0.002515 1.025135 0.738929
H 0.182358 -0.578999 1.492735
H -0.964790 -0.004557 -1.320212
H -0.729642 -1.640906 -0.641343
H -2.249111 -0.828976 1.232612
H -3.332249 -0.447266 -1.518854
H -3.488108 -1.973061 -0.607909
H -4.765247 -0.656343 1.215583
H -4.092612 1.684495 0.549691
H -4.941485 1.452589 -1.033040
H -8.080017 -2.231971 -1.142847
H -8.653432 2.211223 1.121755
H -10.404624 -1.366987 -0.659123
H -10.691922 0.850955 0.504120


